Compound Identification
SMILES
COC(=O)[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C(=O)C=C3[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]43C)C(O)=O)C2(C)C)C(=O)OC)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=VIBICZSYZZPALI-WGRDPETLSA-N
Formula
C44H66O16
Mass
850.996
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Terpene glycosides
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Level 5
Triterpene glycosides
- Level 6 Triterpene saponins
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Level 5
Triterpene glycosides
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Subclass
Terpene glycosides
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Terpene glycosides
Intermediate Tree Nodes
Triterpene glycosides
Direct Parent
Triterpene saponins
Alternative Parents
Triterpenoids O-glucuronides Disaccharides O-glycosyl compounds Tricarboxylic acids and derivatives Beta hydroxy acids and derivatives Cyclohexenones Oxanes Pyrans Methyl esters Secondary alcohols Polyols Oxacyclic compounds Acetals Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Disaccharide - Glycosyl compound - O-glycosyl compound - Tricarboxylic acid or derivatives - Beta-hydroxy acid - Cyclohexenone - Pyran - Oxane - Hydroxy acid - Methyl ester - Secondary alcohol - Carboxylic acid ester - Ketone - Organoheterocyclic compound - Oxacycle - Polyol - Carboxylic acid derivative - Carboxylic acid - Acetal - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organic oxide - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton.
External Descriptors
Not available